CID 2145809

Pfm01

Structural Information

Molecular Formula
C14H15NO2S2
SMILES
CC(C)CN1C(=O)/C(=C/C2=CC=C(C=C2)O)/SC1=S
InChI
InChI=1S/C14H15NO2S2/c1-9(2)8-15-13(17)12(19-14(15)18)7-10-3-5-11(16)6-4-10/h3-7,9,16H,8H2,1-2H3/b12-7-
InChIKey
GPURHDUTZUYAFI-GHXNOFRVSA-N
Compound name
(5Z)-5-[(4-hydroxyphenyl)methylidene]-3-(2-methylpropyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

293.0544 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.06168 165.0
[M+Na]+ 316.04362 173.6
[M-H]- 292.04712 169.2
[M+NH4]+ 311.08822 181.5
[M+K]+ 332.01756 167.0
[M+H-H2O]+ 276.05166 159.4
[M+HCOO]- 338.05260 173.8
[M+CH3COO]- 352.06825 197.4
[M+Na-2H]- 314.02907 159.9
[M]+ 293.05385 165.9
[M]- 293.05495 165.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe